Basic information
- CAS
105-18-0- Standard SMILES
CCN(CC)CC#CCN(CC)CC- InChIKey
ZSHOGSSMVWJOGA-UHFFFAOYSA-N- Molecular formula
- C12H24N2
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.19394877
Names & identifiers
- Preferred name
- 1,4-Bis(diethylamino)-2-butyne
- IUPAC
- N,N,N',N'-tetraethylbut-2-yne-1,4-diamine
- English name
- N,N,N',N'-Tetraethyl-2-butyne-1,4-diamine
- Molecular formula
- C12H24N2
- Molecular weight
- 196.33
Names & synonyms
105-18-02-Butyne-1,4-diamine, N,N,N',N'-tetraethyl-1,4-Bis(diethylamino)-2-butyneN,N,N',N'-Tetraethylbut-2-ynylenediamine2-Butyne-1,4-diamine, N1,N1,N4,N4-tetraethyl-N,N,N',N'-Tetraethyl-2-butynylenediamine1,4-Bis (diethylamino)-2-butyneEINECS 203-277-8NSC 166328BRN 17659542-BUTYNYLENEDIAMINE, N,N,N'N'-TETRAETHYL-AI3-23337
Show more names
n,n,n’n’-tetraethyl-2-butynylenediaminn,n,n’,n’-tetraethyl-2-butyne-4-diamine4-(diethylamino)but-2-ynyl-diethyl-amineN,N,N',N'-tetraethylbut-2-yne-1,4-diamineN,N,N',N'-Tetraethyl-2-butyne-1,4-diamine
3YK5N7057WNSC-166328DTXSID60593144-04-00-01393 (Beilstein Handbook Reference)N,N,N',N'-TETRAETHYL-1,4-DIAMINOBUT-2-YNEN1,N1,N4,N4-TETRAETHYL-2-BUTYNE-1,4-DIAMINE92959-03-0RefChem:416451
Database identifiers
- CAS
105-18-0- PubChem CID
- 7740
- DTXSID
DTXSID6059314- UNII
- 3YK5N7057W
- EC Number
- 203-277-8
- Nikkaji
- J42.776D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 323.24 °C · 323.24°C (rough estimate)
- Density
- 0.8742 · 0.8742 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- FDA UNII
- 3 YK5N7057W · 3YK5N7057W
- EPA Substance Registry System
- 2 · 2-Butyne-1,4-diamine, N,N,N',N'-tetraethyl- (105-18-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 56 mg/kg CSLNX* NX#04930
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 ivn-mus: 56 mg/kg CSLNX* NX#04930
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butyne-1,4-diamine, N1,N1,N4,N4-tetraethyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers7 total
HONEST JOY HOLDINGS LIMITED[email protected]
Carbone Scientific CO., LTD[email protected]
PFALTZ-BAUER[email protected]
ASDI-INTER[email protected]
MPBIO-FINE—
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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